1-[6-methoxy-3-(4-methylphenyl)carbonyl-quinolin-1-ium-4-yl]piperidine-4-carboxamide

Systemtic Name: 1-[6-methoxy-3-(4-methylphenyl)carbonyl-quinolin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: 1-[6-methoxy-3-(4-methylbenzoyl)quinolin-1-ium-4-yl]piperidine-4-carboxamide CAS Name: 1-[6-methoxy-3-[(4-methylphenyl)-oxomethyl]-4-quinolin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: 1-[6-methoxy-3-(4-methylbenzoyl)quinolin-1-ium-4-yl]piperidine-4-carboxamide Traditional Name: 1-(6-methoxy-3-p-toluoyl-quinolin-1-ium-4-yl)isonipecotamide Formula: C24H26N3O3+ MolecularWeight: 404.48154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCC(CC4)C(=O)N)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCC(CC4)C(=O)N)OC

InChI

InChI=1S/C24H25N3O3/c1-15-3-5-16(6-4-15)23(28)20-14-26-21-8-7-18(30-2)13-19(21)22(20)27-11-9-17(10-12-27)24(25)29/h3-8,13-14,17H,9-12H2,1-2H3,(H2,25,29)/p+1